기본 정보
- CAS
66000-40-6- 표준 SMILES
NC1=NN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
CPXGGWXJNQSFEP-UHFFFAOYSA-N- 분자식
- C10H10F3N3
- 평균 분자량
- 229.2 g/mol
- 단동위원소 질량
- 229.08268182
개요
A dual inhibitor of both cyclooxygenase and lipoxygenase pathways. It exerts an anti-inflammatory effect by inhibiting the formation of prostaglandins and leukotrienes. The drug also enhances pulmonary hypoxic vasoconstriction and has a protective effect after myocardial ischemia.
이름 및 식별자
- 우선 이름
- 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
- 영어명
- 4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
- 분자식
- C10H10F3N3
- 분자량
- 229.2017096
이름 및 동의어
66000-40-6BW 755CBW-755CBW755C4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine4,5-DIHYDRO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-AMINE6V6JF56BXODTXSID302162131H-Pyrazol-3-amine, 4,5-dihydro-1-(3-(trifluoromethyl)phenyl)-RefChem:388753DTXCID30138704266-051-8
이름 더 보기
CGS-13592BW 755C, 10 mM in DMSO3-amino-1--2-pyrazoline1H-Pyrazol-3-amine, 4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-
1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amineCHEMBL2746423-Amino-1-(3-(trifluoromethyl)phenyl)-2-pyrazoline1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-amine1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamineUNII-6V6JF56BXOEINECS 266-051-8
데이터베이스 식별자
- CAS
66000-40-6- PubChem CID
- 47795
- DTXSID
DTXSID30216213
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 288
물리화학적 성질
- 끓는 점
- 308.5 · 308.5±52.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mg/ml · ≤30mg/ml in ethanol;30mg/ml in DMSO;25mg/ml in dimethyl formamide
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 2.57 · 2.57±0.70(Predicted)
- 색상
- Brown to reddish brown
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
공급사19 곳
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences
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